CID 20242389

2094924-41-9

Structural Information

Molecular Formula

C₈H₁₃N₃O₃

SMILES

CN1CC(=O)N(C1=N)CCCC(=O)O

InChI

InChI=1S/C8H13N3O3/c1-10-5-6(12)11(8(10)9)4-2-3-7(13)14/h9H,2-5H2,1H3,(H,13,14)

InChIKey

VWFNOXGEUPBNKI-UHFFFAOYSA-N

Compound name

4-(2-imino-3-methyl-5-oxoimidazolidin-1-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 199.09569 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.10297	143.1
[M+Na]+	222.08491	150.6
[M-H]-	198.08841	142.8
[M+NH4]+	217.12951	160.6
[M+K]+	238.05885	148.6
[M+H-H2O]+	182.09295	136.4
[M+HCOO]-	244.09389	162.8
[M+CH3COO]-	258.10954	184.9
[M+Na-2H]-	220.07036	144.1
[M]+	199.09514	141.5
[M]-	199.09624	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe